2,3-dihydro-1H-inden-5-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1H-inden-5-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-indan-5-yl-methanone CAS Name: 2,3-dihydro-1H-inden-5-yl-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1H-inden-5-yl-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: indan-5-yl-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(CCC4)C=C3)OC

InChI

InChI=1S/C23H28N2O3/c1-27-21-9-6-17(14-22(21)28-2)16-24-10-12-25(13-11-24)23(26)20-8-7-18-4-3-5-19(18)15-20/h6-9,14-15H,3-5,10-13,16H2,1-2H3/p+1